2,4-Dihydroxy-6-methylbenzaldehyde
PubChem CID: 251690
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| Compound Synonyms | 2,4-Dihydroxy-6-methylbenzaldehyde, 487-69-4, o-Orsellinaldehyde, Orcylaldehyde, Orcinaldehyde, Benzaldehyde, 2,4-dihydroxy-6-methyl-, Orsellinaldehyde, 4-Formyl-5-methylresorcinol, 2-Formyl-5-hydroxy-3-methylphenol, .beta.-Resorcylaldehyde, 6-methyl-, NSC-72346, 4-Formyl-5-methylbenzene-1,3-diol, UNII-15U7JE2JVK, 15U7JE2JVK, beta-Resorcylaldehyde, 6-methyl-, CHEBI:155863, DTXSID70291004, 2,4-Dihydroxy-6-methylbenzaldehyde, , 2,4-Dihydroxy-6-methyl-benzaldehyde, MFCD00033852, 6-Methyl-b-resorcyladehyde, 6-Methyl-A-resorcyladehyde, NCIOpen2_000429, 6-Methyl-I2-resorcyladehyde, 6-Methyl-beta-resorcyladehyde, SCHEMBL869070, DTXCID50242150, 2-methyl-4,6-dihydroxybenzaldehyde, Benzaldehyde,4-dihydroxy-6-methyl-, NSC72346, STK040201, AKOS005382852, CS-W008436, AC-27326, DS-18229, 2,4-Dihydroxy-6-methylbenzaldehyde, 97%, DB-070951, EN300-111362, AO-800/41069713, Q27251742, Z1255461254, 624-460-2 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-dihydroxy-6-methylbenzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C8H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJFQTUKKYWDRAT-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.095 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.336 |
| Compound Name | 2,4-Dihydroxy-6-methylbenzaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 152.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1226601636363633 |
| Inchi | InChI=1S/C8H8O3/c1-5-2-6(10)3-8(11)7(5)4-9/h2-4,10-11H,1H3 |
| Smiles | CC1=CC(=CC(=C1C=O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calypogeia Integristipula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cirsium Brevistylum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Desmodium Oxyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Putterlickia Verrucosa (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Vernonia Condensata (Plant) Rel Props:Source_db:cmaup_ingredients